SCHEMBL21463394

SCHEMBL21463394

Cc1cc(F)ncc1-n1c(=O)n(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ NPC1 O15118 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTR2B P41595 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ GRM4 Q14833 7/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KLK7 P49862 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24405807 0.77 NPC1 (0.39) CYP1A2CYP3A4TGFBR1NPC1ALDH1A1
SCHEMBL24405588 0.77 CREBBP (0.41) CYP1A2CYP3A4NPC1ALDH1A1TSHR
SCHEMBL30615656 0.76 AURKA (0.48) CYP1A2MEN1KMT2A
SCHEMBL24405665 0.75 TP53 (0.53) NPC1ALDH1A1PGRGRM4KDM4E
SCHEMBL3513709 0.73 MTOR (0.45) PIK3CAPRKDC
SCHEMBL7879472 0.73 MTOR (0.45) PIK3CAPRKDC
SCHEMBL24405780 0.72 CYP1A2 (0.46) CYP1A2CYP3A4TGFBR1PGRGRM4
SCHEMBL30402458 0.72 GRM4 (0.45) CYP1A2CYP3A4TGFBR1NPC1ALDH1A1
SCHEMBL24405558 0.68 PGR (0.43) CYP1A2NPC1ALDH1A1PGRRAB9A
SCHEMBL31514120 0.66 CA12 (0.36) CYP3A4HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 — — US disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 — — EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 — — US disclosed
EP-3774739-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RaQualia Pharma Inc. (JP) 2021-02-17 — — EP disclosed
WO-2019198692-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2019-10-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH CYP1A2 3484/4885CYP3A4 4562/4885TGFBR1 2030/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH CYP1A2 3484/4885CYP3A4 4562/4885TGFBR1 2030/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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